1-(tert-Butyl)-6-methylnaphthalene
Basic information
- CAS
84029-68-5- Standard SMILES
Cc1ccc2c(C(C)(C)C)cccc2c1- InChIKey
SQYCYQDFEIGGQB-UHFFFAOYSA-N- Molecular formula
- C15H18
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.14085057
Names & identifiers
- Preferred name
- 1-(tert-Butyl)-6-methylnaphthalene
- IUPAC
- 1-tert-butyl-6-methylnaphthalene
- English name
- 1-(tert-butyl)-6-methylnaphthalene
- Molecular formula
- C15H18
- Molecular weight
- 198.3
Names & synonyms
1-(tert-Butyl)-6-methylnaphthaleneEINECS 281-737-74BRE8B6S56UNII-4BRE8B6S561-(1,1-Dimethylethyl)-6-methylnaphthaleneDTXSID30232913NAPHTHALENE, 1-(1,1-DIMETHYLETHYL)-6-METHYL-RefChem:74782DTXCID60155404281-737-784029-68-51-tert-butyl-6-methylnaphthalene
Show more names
SCHEMBL7831678SCHEMBL7831682SQYCYQDFEIGGQB-UHFFFAOYSA-NNS00038380
Database identifiers
- CAS
84029-68-5- PubChem CID
- 3019596
- DTXSID
DTXSID30232913- UNII
- 4BRE8B6S56
- EC Number
- 281-737-7
- Nikkaji
- J332.974G
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- FDA UNII
- 4 BRE8B6S56 · 4BRE8B6S56
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Related reactions
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Compound notes
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